[4-[(4R)-4-[(3,4-dimethylphenyl)methyl]octoxy]-3,5-dimethylphenyl]methanol

C26H38O2 — CID 125467183

IUPAC[4-[(4R)-4-[(3,4-dimethylphenyl)methyl]octoxy]-3,5-dimethylphenyl]methanol
SMILESCCCC[C@H](CCCOc1c(C)cc(CO)cc1C)Cc1ccc(C)c(C)c1
InChIInChI=1S/C26H38O2/c1-6-7-9-23(17-24-12-11-19(2)20(3)14-24)10-8-13-28-26-21(4)15-25(18-27)16-22(26)5/h11-12,14-16,23,27H,6-10,13,17-18H2,1-5H3/t23-/m1/s1
InChIKeyCPZHKXUIDILWSM-HSZRJFAPSA-N
MW382.59 g/mol
LogP6.62
Rot. Bonds11

About [4-[(4R)-4-[(3,4-dimethylphenyl)methyl]octoxy]-3,5-dimethylphenyl]methanol

[4-[(4R)-4-[(3,4-dimethylphenyl)methyl]octoxy]-3,5-dimethylphenyl]methanol (PubChem CID 125467183) has the molecular formula C26H38O2 and a molecular weight of 382.59 g/mol. Its IUPAC name is [4-[(4R)-4-[(3,4-dimethylphenyl)methyl]octoxy]-3,5-dimethylphenyl]methanol.

Molecular Properties

Compound Name[4-[(4R)-4-[(3,4-dimethylphenyl)methyl]octoxy]-3,5-dimethylphenyl]methanol
PubChem CID125467183
Molecular FormulaC26H38O2
Molecular Weight382.59 g/mol
Exact Mass382.29
IUPAC Name[4-[(4R)-4-[(3,4-dimethylphenyl)methyl]octoxy]-3,5-dimethylphenyl]methanol
SMILESCCCC[C@H](CCCOc1c(C)cc(CO)cc1C)Cc1ccc(C)c(C)c1
InChIInChI=1S/C26H38O2/c1-6-7-9-23(17-24-12-11-19(2)20(3)14-24)10-8-13-28-26-21(4)15-25(18-27)16-22(26)5/h11-12,14-16,23,27H,6-10,13,17-18H2,1-5H3/t23-/m1/s1
InChIKeyCPZHKXUIDILWSM-HSZRJFAPSA-N
XLogP6.62
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds11
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500382.59
LogP ≤ 56.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

3-bromo-4-[(4R)-4-[(3,4-dimethylphenyl)methyl]octoxy]benzaldehyde
CID 125464811
(4-heptoxy-3,5-dimethylphenyl)methanol
CID 43129630
[3,5-dimethyl-4-(4-methylpentoxy)phenyl]methanol
CID 83157323
[4-(2-butoxyethoxy)-3,5-dimethylphenyl]methanol
CID 54956081
[4-[(4S)-4-(2,6-difluorophenyl)-5-(3,4-dimethylphenyl)pentoxy]phenyl]methanol
CID 125467229
4-(2-ethylbutyl)-1,2-dimethylbenzene
CID 91377891
1-(3,4-dimethylphenyl)-N-ethylhexan-2-amine
CID 62538478
5-[3-chloro-4-[4-[(3,4-dimethylphenyl)methyl]heptoxy]phenyl]pentylphosphonic acid
CID 162170952
1-(4-butoxy-3,5-dimethylphenyl)propan-2-amine
CID 54930520
5-(bromomethyl)-1,3-dimethyl-2-nonoxybenzene
CID 63534828
5-(chloromethyl)-2-heptoxy-1,3-dimethylbenzene
CID 43129659
[4-(2-ethylhexoxy)-3,5-dimethylphenyl]methanamine
CID 55191930

Frequently Asked Questions

What is the IUPAC name of [4-[(4R)-4-[(3,4-dimethylphenyl)methyl]octoxy]-3,5-dimethylphenyl]methanol?
The IUPAC name of [4-[(4R)-4-[(3,4-dimethylphenyl)methyl]octoxy]-3,5-dimethylphenyl]methanol (CID 125467183) is [4-[(4R)-4-[(3,4-dimethylphenyl)methyl]octoxy]-3,5-dimethylphenyl]methanol.
What is the SMILES notation for [4-[(4R)-4-[(3,4-dimethylphenyl)methyl]octoxy]-3,5-dimethylphenyl]methanol?
The canonical SMILES for [4-[(4R)-4-[(3,4-dimethylphenyl)methyl]octoxy]-3,5-dimethylphenyl]methanol is CCCC[C@H](CCCOc1c(C)cc(CO)cc1C)Cc1ccc(C)c(C)c1.
What is the InChIKey of [4-[(4R)-4-[(3,4-dimethylphenyl)methyl]octoxy]-3,5-dimethylphenyl]methanol?
The InChIKey is CPZHKXUIDILWSM-HSZRJFAPSA-N. The full InChI is InChI=1S/C26H38O2/c1-6-7-9-23(17-24-12-11-19(2)20(3)14-24)10-8-13-28-26-21(4)15-25(18-27)16-22(26)5/h11-12,14-16,23,27H,6-10,13,17-18H2,1-5H3/t23-/m1/s1.
What are the key properties of [4-[(4R)-4-[(3,4-dimethylphenyl)methyl]octoxy]-3,5-dimethylphenyl]methanol?
[4-[(4R)-4-[(3,4-dimethylphenyl)methyl]octoxy]-3,5-dimethylphenyl]methanol has a molecular weight of 382.59 g/mol, XLogP of 6.62, 11 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[(4R)-4-[(3,4-dimethylphenyl)methyl]octoxy]-3,5-dimethylphenyl]methanol is sourced from PubChem (CID 125467183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).